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122799-98-8 | 1H-Pyrazole-4-carbonitrile, 3-amino-1-cyclopentyl-
CAS No: 122799-98-8 Catalog No: AG000JI6 MDL No:MFCD11040167
Product Description
Catalog Number:
AG000JI6
Chemical Name:
1H-Pyrazole-4-carbonitrile, 3-amino-1-cyclopentyl-
CAS Number:
122799-98-8
Molecular Formula:
C9H12N4
Molecular Weight:
176.2184
MDL Number:
MFCD11040167
IUPAC Name:
3-amino-1-cyclopentylpyrazole-4-carbonitrile
InChI:
InChI=1S/C9H12N4/c10-5-7-6-13(12-9(7)11)8-3-1-2-4-8/h6,8H,1-4H2,(H2,11,12)
InChI Key:
JWFXBAXRJTXECX-UHFFFAOYSA-N
SMILES:
N#Cc1cn(nc1N)C1CCCC1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.223g/mol
Monoisotopic Mass:
176.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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